6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

C20H15FN2O3 — CID 166377678

IUPAC6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(-c2cn(C)c3ccc(F)cc23)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C20H15FN2O3/c1-10-5-11(6-14-18(10)22-8-15(19(14)24)20(25)26)16-9-23(2)17-4-3-12(21)7-13(16)17/h3-9H,1-2H3,(H,22,24)(H,25,26)
InChIKeyBYDMKYZSRPYODH-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.83
Rot. Bonds2

About 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 166377678) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID166377678
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(-c2cn(C)c3ccc(F)cc23)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C20H15FN2O3/c1-10-5-11(6-14-18(10)22-8-15(19(14)24)20(25)26)16-9-23(2)17-4-3-12(21)7-13(16)17/h3-9H,1-2H3,(H,22,24)(H,25,26)
InChIKeyBYDMKYZSRPYODH-UHFFFAOYSA-N
XLogP3.83
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 166377678) is 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1cc(-c2cn(C)c3ccc(F)cc23)cc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is BYDMKYZSRPYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-10-5-11(6-14-18(10)22-8-15(19(14)24)20(25)26)16-9-23(2)17-4-3-12(21)7-13(16)17/h3-9H,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 350.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 166377678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).